2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(4-sulfamoylphenyl)butanamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(4-sulfamoylphenyl)butyramide Formula: C14H17N5O4S2 MolecularWeight: 383.44588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC(=O)C=C(N2)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C14H17N5O4S2/c1-2-10(24-14-18-11(15)7-12(20)19-14)13(21)17-8-3-5-9(6-4-8)25(16,22)23/h3-7,10H,2H2,1H3,(H,17,21)(H2,16,22,23)(H3,15,18,19,20)